4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-
TL;DR: 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo- (CAS 132605-22-2) is a chemical compound with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one
Also Known As: 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-, 3-Methyl-1,2,3,5,6,7,8,9-octahydro-2-thioxo-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,6,7,8,9-Hexahydro-2-thioxo-3-methyl-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-Methyl-2-sulfanylidene-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 4-methyl-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one
| Molecular Formula | C12H14N2OS2 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 2.92649 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.05475 |
| Heavy Atoms | 17 |
| Complexity | 692.81915 |
Chemical Identifiers
| CAS Number | 132605-22-2 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC1=S)SC3=C2CCCCC3 |
Product Overview
4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo- (CAS 132605-22-2), with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol. IUPAC: 4-methyl-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-
Property Insights of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-
The XLogP value of 2.92649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-. With a topological polar surface area (TPSA) of 37.79 Ų, 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-?
The CAS number of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo- is 132605-22-2.
What is the molecular formula of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-?
The molecular formula of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo- is C12H14N2OS2.
What is the molecular weight of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-?
The molecular weight of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo- is 266.05 g/mol.
Where can I buy 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-?
You can request a quote for 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-methyl-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.